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/*
* BioJava development code
*
* This code may be freely distributed and modified under the
* terms of the GNU Lesser General Public Licence. This should
* be distributed with the code. If you do not have a copy,
* see:
*
* http://www.gnu.org/copyleft/lesser.html
*
* Copyright for this code is held jointly by the individual
* authors. These should be listed in @author doc comments.
*
* For more information on the BioJava project and its aims,
* or to join the biojava-l mailing list, visit the home page
* at:
*
* http://www.biojava.org/
*
* Created on July 2, 2010
* Author: Mark Chapman
*/
package org.biojava.nbio.alignment.template;
import org.biojava.nbio.core.alignment.template.Profile;
import org.biojava.nbio.core.alignment.template.SubstitutionMatrix;
import org.biojava.nbio.alignment.routines.AlignerHelper.Anchor;
import org.biojava.nbio.alignment.routines.AlignerHelper.Last;
import org.biojava.nbio.alignment.routines.AlignerHelper.Subproblem;
import org.biojava.nbio.core.alignment.template.AlignedSequence.Step;
import org.biojava.nbio.core.sequence.template.Compound;
import org.biojava.nbio.core.sequence.template.CompoundSet;
import org.biojava.nbio.core.sequence.template.Sequence;
import java.util.ArrayList;
import java.util.Arrays;
import java.util.List;
import static org.biojava.nbio.alignment.routines.AlignerHelper.setScoreVector;
import static org.biojava.nbio.alignment.routines.AlignerHelper.setSteps;
/**
* Implements common code for an {@link Aligner} which builds a score matrix during computation.
*
* @author Mark Chapman
* @author Daniel Cameron
* @param each element of the alignment {@link Profile} is of type S
* @param each element of an {@link AlignedSequence} is a {@link Compound} of type C
*/
public abstract class AbstractMatrixAligner, C extends Compound> extends AbstractScorer
implements MatrixAligner {
// input fields
protected GapPenalty gapPenalty;
private SubstitutionMatrix subMatrix;
private boolean local, storingScoreMatrix;
protected List anchors = new ArrayList();
protected int cutsPerSection;
// output fields
protected Profile profile;
/**
* Start position of the aligned sequence in the query and target respectively
*/
protected int[] xyStart;
/**
* End position of the aligned sequence in the query and target respectively
*/
protected int[] xyMax;
protected int max, min, score;
/**
* Dynamic programming score matrix
* The first dimension has the length of the first (query) sequence + 1
* The second has the length of the second (target) sequence + 1
* The third has length 1 for linear gap penalty and 3 for affine/constant gap
* (one each for match/substitution, deletion, insertion)
*/
protected int[][][] scores;
/**
* Friendly name of each copy of the scoring matrix.
* The number of elements must match the number of elements in third dimension of @see scores
*/
private String[] types;
protected long time = -1;
/**
* Before running an alignment, data must be sent in via calls to {@link #setGapPenalty(GapPenalty)} and
* {@link #setSubstitutionMatrix(SubstitutionMatrix)}.
*/
protected AbstractMatrixAligner() {
}
/**
* Prepares for an alignment.
*
* @param gapPenalty the gap penalties used during alignment
* @param subMatrix the set of substitution scores used during alignment
*/
protected AbstractMatrixAligner(GapPenalty gapPenalty, SubstitutionMatrix subMatrix) {
this(gapPenalty, subMatrix, false);
}
/**
* Prepares for an alignment.
*
* @param gapPenalty the gap penalties used during alignment
* @param subMatrix the set of substitution scores used during alignment
* @param local if true, find a region of similarity rather than aligning every compound
*/
protected AbstractMatrixAligner(GapPenalty gapPenalty, SubstitutionMatrix subMatrix, boolean local) {
this.gapPenalty = gapPenalty;
this.subMatrix = subMatrix;
this.local = local;
reset();
}
/**
* Returns the gap penalties.
*
* @return the gap penalties used during alignment
*/
public GapPenalty getGapPenalty() {
return gapPenalty;
}
/**
* Returns the substitution matrix.
*
* @return the set of substitution scores used during alignment
*/
public SubstitutionMatrix getSubstitutionMatrix() {
return subMatrix;
}
/**
* Returns whether alignment finds a region of similarity rather than aligning every compound.
*
* @return true if alignment finds a region of similarity rather than aligning every compound
*/
public boolean isLocal() {
return local;
}
/**
* Returns choice to cache the score matrix or to save memory by deleting score matrix after alignment.
*
* @return choice to cache the score matrix
*/
public boolean isStoringScoreMatrix() {
return storingScoreMatrix;
}
/**
* Sets the gap penalties.
*
* @param gapPenalty the gap penalties used during alignment
*/
public void setGapPenalty(GapPenalty gapPenalty) {
this.gapPenalty = gapPenalty;
reset();
}
/**
* Sets the substitution matrix.
*
* @param subMatrix the set of substitution scores used during alignment
*/
public void setSubstitutionMatrix(SubstitutionMatrix subMatrix) {
this.subMatrix = subMatrix;
reset();
}
/**
* Sets choice to cache the score matrix or to save memory by deleting score matrix after alignment.
*
* @param storingScoreMatrix choice to cache the score matrix
*/
public void setStoringScoreMatrix(boolean storingScoreMatrix) {
this.storingScoreMatrix = storingScoreMatrix;
if (!storingScoreMatrix) {
scores = null;
}
}
// methods for MatrixAligner
@Override
public int[][][] getScoreMatrix() {
boolean tempStoringScoreMatrix = storingScoreMatrix;
if (scores == null) {
storingScoreMatrix = true;
align();
if (scores == null) {
return null;
}
}
int[][][] copy = scores;
if (tempStoringScoreMatrix) {
copy = new int[scores.length][scores[0].length][];
for (int i = 0; i < copy.length; i++) {
for (int j = 0; j < copy[0].length; j++) {
copy[i][j] = Arrays.copyOf(scores[i][j], scores[i][j].length);
}
}
}
setStoringScoreMatrix(tempStoringScoreMatrix);
return copy;
}
@Override
public String getScoreMatrixAsString() {
int[][][] scores = getScoreMatrix();
return scoreMatrixToString(scores);
}
private String scoreMatrixToString(int[][][] scores) {
StringBuilder s = new StringBuilder();
CompoundSet compoundSet = getCompoundSet();
int lengthCompound = compoundSet.getMaxSingleCompoundStringLength(), lengthRest =
Math.max(Math.max(Integer.toString(min).length(), Integer.toString(max).length()), lengthCompound) + 1;
String padCompound = "%" + Integer.toString(lengthCompound) + "s",
padRest = "%" + Integer.toString(lengthRest);
List query = getCompoundsOfQuery(), target = getCompoundsOfTarget();
for (int type = 0; type < scores[0][0].length; type++) {
if (type > 0) {
s.append(String.format("%n"));
}
if (types[type] != null) {
s.append(String.format("%s%n", types[type]));
}
s.append(String.format(padCompound, ""));
s.append(String.format(padRest + "s", ""));
for (C col : target) {
s.append(String.format(padRest + "s", compoundSet.getStringForCompound(col)));
}
s.append(String.format("%n"));
for (int x = 0; x < scores.length; x++) {
s.append(String.format(padCompound, (x == 0) ? "" :
compoundSet.getStringForCompound(query.get(x - 1))));
for (int y = 0; y < scores[0].length; y++) {
s.append(scores[x][y][type] >= min ? String.format(padRest + "d", scores[x][y][type]) :
String.format(padRest + "s", "-\u221E"));
}
s.append(String.format("%n"));
}
}
return s.toString();
}
// methods for Aligner
@Override
public long getComputationTime() {
if (profile == null) {
align();
}
return time;
}
@Override
public Profile getProfile() {
if (profile == null) {
align();
}
return profile;
}
// methods for Scorer
@Override
public double getMaxScore() {
if (profile == null) {
align();
}
return max;
}
@Override
public double getMinScore() {
if (profile == null) {
align();
}
return min;
}
@Override
public double getScore() {
if (profile == null) {
align();
}
return score;
}
// helper methods
/**
* Performs alignment
*/
protected void align() {
if (!isReady()) {
return;
}
long timeStart = System.nanoTime();
int[] dim = getScoreMatrixDimensions();
if (storingScoreMatrix) {
scores = new int[dim[0]][dim[1]][dim[2]];
} else {
scores = new int[dim[0]][][];
scores[0] = new int[dim[1]][dim[2]];
scores[1] = new int[dim[1]][dim[2]];
}
boolean linear = (gapPenalty.getType() == GapPenalty.Type.LINEAR);
Last[][][] traceback = new Last[dim[0]][][];
List sx = new ArrayList(), sy = new ArrayList();
if (!local) {
xyMax = new int[] { dim[0] - 1, dim[1] - 1 };
xyStart = new int[] { 0, 0 };
score = 0;
List problems = Subproblem.getSubproblems(anchors, xyMax[0], xyMax[1]);
assert problems.size() == anchors.size() + 1;
for (int i = 0; i < problems.size(); i++) {
Subproblem subproblem = problems.get(i);
for (int x = subproblem.getQueryStartIndex(); x <= subproblem.getQueryEndIndex(); x++) {
traceback[x] =
linear ?
setScoreVector(x, subproblem, gapPenalty.getExtensionPenalty(), getSubstitutionScoreVector(x, subproblem), storingScoreMatrix, scores) :
setScoreVector(x, subproblem, gapPenalty.getOpenPenalty(), gapPenalty.getExtensionPenalty(), getSubstitutionScoreVector(x, subproblem), storingScoreMatrix, scores);
}
}
setSteps(traceback, scores, sx, sy);
score = Integer.MIN_VALUE;
int[] finalScore = scores[xyMax[0]][xyMax[1]];
for (int z = 0; z < finalScore.length; z++) {
score = Math.max(score, finalScore[z]);
}
} else {
for (int x = 0; x < dim[0]; x++) {
traceback[x] =
linear ?
setScoreVector(x, gapPenalty.getExtensionPenalty(), getSubstitutionScoreVector(x), storingScoreMatrix, scores, xyMax, score) :
setScoreVector(x, gapPenalty.getOpenPenalty(), gapPenalty.getExtensionPenalty(), getSubstitutionScoreVector(x), storingScoreMatrix, scores, xyMax, score);
if (xyMax[0] == x) {
score = scores[x][xyMax[1]][0];
}
}
xyStart = local ? setSteps(traceback, xyMax, sx, sy) : setSteps(traceback, scores, sx, sy);
}
setProfile(sx, sy);
if (!storingScoreMatrix) {
scores = null;
}
time = System.nanoTime() - timeStart;
}
/**
* Returns score for the alignment of the query column to all target columns
* @param queryColumn
* @return
*/
protected int[] getSubstitutionScoreVector(int queryColumn) {
return getSubstitutionScoreVector(queryColumn, new Subproblem(0, 0, scores.length - 1, scores[0].length - 1));
}
/**
* Returns score for the alignment of the query column to all target columns
* @param queryColumn
* @param subproblem
* @return
*/
protected int[] getSubstitutionScoreVector(int queryColumn, Subproblem subproblem) {
int[] subs = new int[subproblem.getTargetEndIndex() + 1];
if (queryColumn > 0) {
for (int y = Math.max(1, subproblem.getTargetStartIndex()); y <= subproblem.getTargetEndIndex(); y++) {
subs[y] = getSubstitutionScore(queryColumn, y);
}
}
return subs;
}
/**
* Resets output fields; should be overridden to set max and min
*/
protected void reset() {
xyMax = new int[] {0, 0};
xyStart = new int[] {0, 0};
scores = null;
types = (gapPenalty == null || gapPenalty.getType() == GapPenalty.Type.LINEAR) ? new String[] { null } :
new String[] { "Substitution", "Deletion", "Insertion" };
time = -1;
profile = null;
}
// abstract methods
// returns compound set of sequences
protected abstract CompoundSet getCompoundSet();
// returns compounds in query sequence/profile
protected abstract List getCompoundsOfQuery();
// returns compounds in target sequence/profile
protected abstract List getCompoundsOfTarget();
// returns the 3 score matrix dimensions
protected abstract int[] getScoreMatrixDimensions();
// returns score for the alignment of two columns
protected abstract int getSubstitutionScore(int queryColumn, int targetColumn);
// prepares for alignment; returns true if everything is set to run the alignment
protected abstract boolean isReady();
// sets profile following the given alignment path
protected abstract void setProfile(List sx, List sy);
}
